Glycoside
GD050517
Name:
NoneFormula:
C12H17O7N3Smiles:
Cc1cc([N+](=O)[O-])cnc1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
Cc1cc([N+](=O)[O-])cnc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.28 | Num_heavy_atoms: | 22 |
| TPSA: | 158.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD26639
Formula: C6H7O2N3
Smiles:
Cc1cc([N+](=O)[O-])cnc1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.14 | Num_heavy_atoms: | 11 |
| TPSA: | 82.05 | NumAromaticRings: | 1 |
